SCHEMBL25373908

SCHEMBL25373908

Cc1ccc2c(Cc3ccc(C(F)(F)F)cc3)nccc2c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ TGM2 P21980 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30402558 1.00 ALDH1A1 (0.39) ALDH1A1TSHRKDM4EPOLBATG4B
SCHEMBL25375892 0.87 ALDH1A1 (0.41) ALDH1A1TSHRPOLBTDP1MEN1
SCHEMBL30402455 0.87 GPR52 (0.39) ATG4BCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL25374145 0.87 GPR52 (0.39) ATG4BCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL25373797 0.84 ALDH1A1 (0.41) ALDH1A1TSHRTDP1MEN1CYP1A2
SCHEMBL25377549 0.82 PDE3B (0.48) ALDH1A1POLBGAAHTTKMT2A
SCHEMBL30401021 0.80 AR (0.43) ALDH1A1TSHRKDM4ETDP1MEN1
SCHEMBL25373892 0.80 AR (0.43) ALDH1A1TSHRKDM4ETDP1MEN1
SCHEMBL25375372 0.79 MBOAT4 (0.39) ALDH1A1KDM5AKDM4CKDM5BGAA
SCHEMBL30401708 0.79 MBOAT4 (0.39) ALDH1A1KDM5AKDM4CKDM5BGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-10-05 — — US disclosed
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-10-05 — — US disclosed
EP-4238967-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-09-06 — — EP disclosed
CN-116096718-A Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-09 — — CN disclosed
WO-2022089219-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-05-05 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF AHR, ARNT, NOTUM ALDH1A1 262/4885TSHR 2621/4885KDM4E 2749/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback